2-[1,3-benzodioxol-5-ylmethyl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide Traditional Name: N-cyclohexyl-2-(4-fluorophenyl)-2-[piperonyl-[2-(2-thienyl)acetyl]amino]acetamide Formula: C28H29FN2O4S MolecularWeight: 508.604263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C28H29FN2O4S/c29-21-11-9-20(10-12-21)27(28(33)30-22-5-2-1-3-6-22)31(26(32)16-23-7-4-14-36-23)17-19-8-13-24-25(15-19)35-18-34-24/h4,7-15,22,27H,1-3,5-6,16-18H2,(H,30,33)